4-methyl-1-[4-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-3-oxidanylidene-pyrazolidine

Systemtic Name: 4-methyl-1-[4-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-3-oxidanylidene-pyrazolidine Openeye Name: 4-methyl-1-[4-[[2-methyl-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylamino]phenyl]-3-oxo-pyrazolidine CAS Name: 4-methyl-1-[4-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-3-oxopyrazolidine IUPAC Name: 4-methyl-1-[4-[[2-methyl-5-(2,4,4-trimethylpentan-2-yl)phenoxy]sulfinylamino]phenyl]-3-oxopyrazolidine Traditional Name: 3-keto-4-methyl-1-[4-[[2-methyl-5-(1,1,3,3-tetramethylbutyl)phenoxy]sulfinylamino]phenyl]pyrazolidine Formula: C25H35N3O3S MolecularWeight: 457.6287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(NC1=O)C2=CC=C(C=C2)NS(=O)OC3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)C

Isomeric SMILES

CC1CN(NC1=O)C2=CC=C(C=C2)NS(=O)OC3=C(C=CC(=C3)C(C)(C)CC(C)(C)C)C

InChI

InChI=1S/C25H35N3O3S/c1-17-8-9-19(25(6,7)16-24(3,4)5)14-22(17)31-32(30)27-20-10-12-21(13-11-20)28-15-18(2)23(29)26-28/h8-14,18,27H,15-16H2,1-7H3,(H,26,29)